N-(4-ethoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(4-ethoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-2067 |
| Compound Name: | N-(4-ethoxyphenyl)-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | CCOc1ccc(cc1)NC(CN1C(N2C(C)=NC(=CC2=N1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3028 |
| logD: | 3.2923 |
| logSw: | -3.4387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.262 |
| InChI Key: | XQXLYHBKGRMOFM-UHFFFAOYSA-N |